ethyl 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-sulfanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate hydrochloride

Systemtic Name: ethyl 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-sulfanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate hydrochloride Openeye Name: ethyl 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-thioxo-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetate hydrochloride CAS Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-sulfanylidene-6-quinoxalinyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-sulfanylidenequinoxalin-6-yl]-quinolin-8-ylsulfonylamino]acetate hydrochloride Traditional Name: 2-[[3-(4-amidinobenzyl)-1-methyl-2-thioxo-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester hydrochloride Formula: C30H29ClN6O4S2 MolecularWeight: 637.17206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=S)C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=S)C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

InChI

InChI=1S/C30H28N6O4S2.ClH/c1-3-40-27(37)18-36(42(38,39)26-8-4-6-20-7-5-15-33-28(20)26)22-13-14-25-23(17-22)34-24(30(41)35(25)2)16-19-9-11-21(12-10-19)29(31)32;/h4-15,17H,3,16,18H2,1-2H3,(H3,31,32);1H